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CHEBI:28111 - (4-hydroxy-3-methoxyphenyl)acetaldehyde

ChEBI IDCHEBI:28111
ChEBI Name(4-hydroxy-3-methoxyphenyl)acetaldehyde
Stars
Secondary ChEBI IDsCHEBI:1574, CHEBI:20107
Last Modified27 January 2016
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILES[H]C(=O)Cc1ccc(O)c(OC)c1
InChIInChI=1S/C9H10O3/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,5-6,11H,4H2,1H3
InChIKeyGOQGGGANVKPMNH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) has role human metabolite (CHEBI:77746)
(4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) has role mouse metabolite (CHEBI:75771)
(4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) is a phenylacetaldehydes (CHEBI:25973)
(4-hydroxy-3-methoxyphenyl)acetaldehyde (CHEBI:28111) is a α-CH2-containing aldehyde (CHEBI:73359)
IUPAC Name 
(4-hydroxy-3-methoxyphenyl)acetaldehyde
Synonyms  Source
3-Methoxy-4-hydroxyphenylacetaldehydeKEGG COMPOUND
4-hydroxy-3-methoxybenzeneacetaldehydeChemIDplus
homovanillinChemIDplus
HMPALChemIDplus
(4-Hydroxy-3-methoxyphenyl)acetaldehydeKEGG COMPOUND
Manual XrefsDatabases
C05581KEGG COMPOUND
C05581KEGG COMPOUND
Registry NumbersSources
Beilstein:1950767Beilstein
CAS:5703-24-2ChemIDplus
CAS:5703-24-2NIST Chemistry WebBook